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88353-98-4 | 4H-1,3-Benzodioxin-4-one, 2-methyl-2-(1-phenylethoxy)-
CAS No: 88353-98-4 Catalog No: AG0045AB MDL No:
Product Description
Catalog Number:
AG0045AB
Chemical Name:
4H-1,3-Benzodioxin-4-one, 2-methyl-2-(1-phenylethoxy)-
CAS Number:
88353-98-4
Molecular Formula:
C17H16O4
Molecular Weight:
284.3065
IUPAC Name:
2-methyl-2-(1-phenylethoxy)-1,3-benzodioxin-4-one
InChI:
InChI=1S/C17H16O4/c1-12(13-8-4-3-5-9-13)19-17(2)20-15-11-7-6-10-14(15)16(18)21-17/h3-12H,1-2H3
InChI Key:
YTCDAJYFMYQZJX-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1)OC1(C)OC(=O)c2c(O1)cccc2
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.311g/mol
Monoisotopic Mass:
284.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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